Reaction Rates and Indicator Acidities.

Hammett, Louis P.

doi:10.1021/cr60053a006

Cited by 97 publications

(31 citation statements)

References 17 publications

(26 reference statements)

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“…The mechanism of the reaction was thus explained without abandoning a prominent role for the acidity function. As early as 1935, only three years after the acidity function was first described, Hammett published a review article on H o (Hammett 1935). Hammett continued to work on acids and bases during the 1930s, notably devising a method to correct the H o values so that they converged on pH in dilute acidic solutions (Hammett and Paul 1934a).…”

Section: Louis P Hammett and The Acidity Functionmentioning

confidence: 99%

The origin and development of the acidity function

Pagni

2009

Found Chem

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The acidity function is a thermodynamic quantitative measure of acid strength for non-aqueous and concentrated aqueous Brønsted acids, with acid strength being defined as the extent to which the acid protonates a base of known basicity. The acidity function, which was developed, both theoretically and experimentally, by Louis P. Hammett of Columbia University during the 1930s, has proven useful in the area of physical organic chemistry where it has been used to correlate rates of acid-catalyzed reactions and to quantitate the acidity of superacids, acids with protonating abilities greater than pure sulfuric acid. All Brønsted acids can now be compared using a common measure. Karl Popper's seminal idea of theory falsification does not apply here because of the many successful applications of the acidity function. Likewise, Thomas Kuhn's idea of a paradigm shift does not apply here, even though the acidity function concept was revolutionary, because the acidity function is commensurate with classical concepts of acidity.

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Section: Louis P Hammett and The Acidity Functionmentioning

confidence: 99%

The origin and development of the acidity function

Pagni

2009

Found Chem

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“…A classical example is the Hammett's study of the effect that different substituents have on the ionization of the carboxylic group in benzoic acid [55]. The effect on ionization was measured in terms of equilibrium (dissociation) constant for the reaction.…”

Section: Ai and Quantitative Structure-activity Relationships Qsar Apmentioning

confidence: 99%

Artificial Intelligence Approaches for Rational Drug Design and Discovery

Duch¹,

Swaminathan²,

Meller

2007

CPD

181

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Pattern recognition, machine learning and artificial intelligence approaches play an increasingly important role in rational drug design, screening and identification of candidate molecules and studies on quantitative structure-activity relationships (QSAR). In this review, we present an overview of basic concepts and methodology in the fields of machine learning and artificial intelligence (AI). An emphasis is put on methods that enable an intuitive interpretation of the results and facilitate gaining an insight into the structure of the problem at hand. We also discuss representative applications of AI methods to docking, screening and QSAR studies. The growing trend to integrate computational and experimental efforts in that regard and some future developments are discussed. In addition, we comment on a broader role of machine learning and artificial intelligence approaches in biomedical research.

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“…(iv) (E)-3-cymantrenyl-1-ferrocenyl-2-buten-1-one, RC- (20), 252 (20), 228 (50), 185 ([CpFe(C 5 H 4 )] + , 50), 149 (30), 129 (35). [15], t r = 3.56 min.…”

Section: Preparative Scale Reaction Of Acetylferrocene (2a) With Acetmentioning

confidence: 99%